2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one

C17H33N3O — CID 43085200

IUPAC2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCCN1CCCCC1C)C(=O)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-15-9-4-7-11-19(15)14-8-10-18-16(2)17(21)20-12-5-3-6-13-20/h15-16,18H,3-14H2,1-2H3
InChIKeyBSKGANHADFDSIV-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one

2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 43085200) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID43085200
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCCCN1CCCCC1C)C(=O)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-15-9-4-7-11-19(15)14-8-10-18-16(2)17(21)20-12-5-3-6-13-20/h15-16,18H,3-14H2,1-2H3
InChIKeyBSKGANHADFDSIV-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43086437
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
CID 43113637
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642
N-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43312067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one (CID 43085200) is 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one is CC(NCCCN1CCCCC1C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BSKGANHADFDSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15-9-4-7-11-19(15)14-8-10-18-16(2)17(21)20-12-5-3-6-13-20/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one?
2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43085200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).